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1212823-38-5 molecular structure
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methyl (1s,3s)-3-aminocyclobutane-1-carboxylate

ChemBase ID: 310037
Molecular Formular: C6H11NO2
Molecular Mass: 129.15704
Monoisotopic Mass: 129.0789786
SMILES and InChIs

SMILES:
[C@@H]1(C(=O)OC)C[C@@H](C1)N
Canonical SMILES:
COC(=O)[C@@H]1C[C@@H](C1)N
InChI:
InChI=1S/C6H11NO2/c1-9-6(8)4-2-5(7)3-4/h4-5H,2-3,7H2,1H3/t4-,5+
InChIKey:
XWBSFYWZNUKOEY-SYDPRGILSA-N

Cite this record

CBID:310037 http://www.chembase.cn/molecule-310037.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (1s,3s)-3-aminocyclobutane-1-carboxylate
IUPAC Traditional name
methyl (1s,3s)-3-aminocyclobutane-1-carboxylate
Synonyms
methyl cis-3-aminocyclobutanecarboxylate
CAS Number
1212823-38-5

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.370557  LogD (pH = 7.4) -2.9473498 
Log P -0.3466871  Molar Refractivity 32.74 cm3
Polarizability 13.364334 Å3 Polar Surface Area 52.32 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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